5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C11H12F3N3 — CID 2821597

IUPAC5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(C(C)C)cc2n1
InChIInChI=1S/C11H12F3N3/c1-6(2)8-5-10-15-7(3)4-9(11(12,13)14)17(10)16-8/h4-6H,1-3H3
InChIKeyPIXYUOUIURBFKF-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.18
Rot. Bonds1

About 5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 2821597) has the molecular formula C11H12F3N3 and a molecular weight of 243.23 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID2821597
Molecular FormulaC11H12F3N3
Molecular Weight243.23 g/mol
Exact Mass243.10
IUPAC Name5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(C(C)C)cc2n1
InChIInChI=1S/C11H12F3N3/c1-6(2)8-5-10-15-7(3)4-9(11(12,13)14)17(10)16-8/h4-6H,1-3H3
InChIKeyPIXYUOUIURBFKF-UHFFFAOYSA-N
XLogP3.18
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 2821597) is 5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(C(F)(F)F)n2nc(C(C)C)cc2n1.
What is the InChIKey of 5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is PIXYUOUIURBFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3/c1-6(2)8-5-10-15-7(3)4-9(11(12,13)14)17(10)16-8/h4-6H,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 243.23 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2821597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).